General Information of the Compound
| Compound ID |
CP0565700
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| Compound Name |
US8629158, 10
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| Structure |
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| Formula |
C24H19F3N4O
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| Molecular Weight |
436.437
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| Canonical SMILES |
FC(F)(F)c1ccc(cn1)-c1ccn(-c2ccc3c4C5CCC(Cc4[nH]c3c2)N5)c(=O)c1
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| InChI |
InChI=1S/C24H19F3N4O/c25-24(26,27)21-6-1-14(12-28-21)13-7-8-31(22(32)9-13)16-3-4-17-19(11-16)30-20-10-15-2-5-18(29-15)23(17)20/h1,3-4,6-9,11-12,15,18,29-30H,2,5,10H2
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| InChIKey |
RWSRFWUAVDKPJQ-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound